1-[1,3-benzodioxol-5-yl-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-benzyloxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-benzoxyphenyl)methyl]pipecolinic acid Formula: C27H27NO5 MolecularWeight: 445.50698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C27H27NO5/c29-27(30)22-11-6-7-15-28(22)26(20-13-14-24-25(16-20)33-18-32-24)21-10-4-5-12-23(21)31-17-19-8-2-1-3-9-19/h1-5,8-10,12-14,16,22,26H,6-7,11,15,17-18H2,(H,29,30)